2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide

C13H14N4O — CID 67477026

IUPAC2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(C)ncc2C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-8-4-3-5-10(6-8)17-13-11(12(14)18)7-15-9(2)16-13/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeySRVKCSYYHMXJJQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide

2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 67477026) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID67477026
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(C)ncc2C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-8-4-3-5-10(6-8)17-13-11(12(14)18)7-15-9(2)16-13/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeySRVKCSYYHMXJJQ-UHFFFAOYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 142898848
2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657945
5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
CID 3077601
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[4-(hydroxymethyl)triazol-1-yl]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657979
4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791
2-[[(1R,2S)-2-amino-5,5-difluorocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 56679797
2-[[2-(3,5-dichloro-4-hydroxyphenyl)ethylamino]methyl]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 91126087
4-(3-methylanilino)-2-[[(3S)-4-methyliminooxan-3-yl]amino]pyrimidine-5-carboxamide
CID 143890464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide (CID 67477026) is 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2nc(C)ncc2C(N)=O)c1.
What is the InChIKey of 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is SRVKCSYYHMXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-3-5-10(6-8)17-13-11(12(14)18)7-15-9(2)16-13/h3-7H,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide?
2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 67477026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).